subroutine f_grid(nBas,nO,nGrid,MO,ERI,f) ! Compute f implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas integer,intent(in) :: nO integer,intent(in) :: nGrid double precision,intent(in) :: MO(nBas,nGrid) double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas) ! Local variables integer :: p,q integer :: i,j integer :: iG ! Output variables double precision,intent(out) :: f(nGrid) ! Initialization f(:) = 0d0 do p=1,nBas do q=1,nBas do i=1,nO do j=1,nO do iG=1,ngrid f(iG) = f(iG) + MO(p,iG)*MO(q,iG)*ERI(p,q,i,j)*MO(i,iG)*MO(j,iG) end do end do end do end do end do end subroutine f_grid